Geometry & MOs

Info

ID:	326999
PubChem CID:	126688820
Reduced:	ClSO4N7C18H26 (1)
Stoich.:	ABC4D7E18F26 (1)
Weight, g/mol:	237.103479
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	5.33
IP(EA), eV:	-8.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethylazaniumyl)-7-oxoheptane-3-sulfonate

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N[C@H]1COC2C1OC[C@H]2NC3=NC(=NC=C3Cl)NC4=CN(N=C4)C

DOS

IR

Vibrations